USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 86 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 142:sc= -0.663 (180deg=-1.83) USER MOD Single : A 2 GLN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD Single : A 4 MET CE :methyl -110:sc= -0.086 (180deg=-0.451) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc=-0.00642 (180deg=-0.223) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 23 ASN : amide:sc= -2.2 K(o=-2.2,f=-0.46) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 19.859 -0.182 -8.882 1.00 0.00 N ATOM 2 CA LEU A 1 21.343 -0.247 -8.661 1.00 0.00 C ATOM 3 C LEU A 1 21.906 0.738 -7.612 1.00 0.00 C ATOM 4 O LEU A 1 22.787 0.422 -6.815 1.00 0.00 O ATOM 5 CB LEU A 1 22.125 -0.231 -9.972 1.00 0.00 C ATOM 6 CG LEU A 1 22.216 1.070 -10.823 1.00 0.00 C ATOM 7 CD1 LEU A 1 20.880 1.738 -11.117 1.00 0.00 C ATOM 8 CD2 LEU A 1 23.272 2.041 -10.279 1.00 0.00 C ATOM 0 H1 LEU A 1 19.652 -0.316 -9.892 1.00 0.00 H new ATOM 0 H2 LEU A 1 19.393 -0.931 -8.331 1.00 0.00 H new ATOM 0 H3 LEU A 1 19.503 0.746 -8.576 1.00 0.00 H new ATOM 0 HA LEU A 1 21.500 -1.222 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 1 23.146 -0.536 -9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 1 21.698 -1.004 -10.611 1.00 0.00 H new ATOM 0 HG LEU A 1 22.559 0.743 -11.804 1.00 0.00 H new ATOM 0 HD11 LEU A 1 21.045 2.635 -11.714 1.00 0.00 H new ATOM 0 HD12 LEU A 1 20.241 1.048 -11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 1 20.395 2.011 -10.179 1.00 0.00 H new ATOM 0 HD21 LEU A 1 23.301 2.934 -10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 1 23.017 2.321 -9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 1 24.250 1.559 -10.290 1.00 0.00 H new ATOM 12 N GLN A 2 21.311 1.917 -7.597 1.00 0.00 N ATOM 13 CA GLN A 2 21.642 2.978 -6.621 1.00 0.00 C ATOM 14 C GLN A 2 20.454 3.198 -5.682 1.00 0.00 C ATOM 15 O GLN A 2 19.482 3.873 -5.990 1.00 0.00 O ATOM 16 CB GLN A 2 22.085 4.252 -7.336 1.00 0.00 C ATOM 17 CG GLN A 2 22.416 5.350 -6.321 1.00 0.00 C ATOM 18 CD GLN A 2 23.320 6.453 -6.845 1.00 0.00 C ATOM 19 OE1 GLN A 2 24.232 6.905 -6.170 1.00 0.00 O ATOM 20 NE2 GLN A 2 23.078 6.937 -8.042 1.00 0.00 N ATOM 0 H GLN A 2 20.580 2.181 -8.257 1.00 0.00 H new ATOM 0 HA GLN A 2 22.488 2.667 -6.008 1.00 0.00 H new ATOM 0 HB2 GLN A 2 22.959 4.044 -7.954 1.00 0.00 H new ATOM 0 HB3 GLN A 2 21.295 4.594 -8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 2 21.484 5.797 -5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 2 22.891 4.892 -5.454 1.00 0.00 H new ATOM 0 HE21 GLN A 2 22.315 6.556 -8.602 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.653 7.694 -8.412 1.00 0.00 H new ATOM 24 N ARG A 3 20.504 2.346 -4.681 1.00 0.00 N ATOM 25 CA ARG A 3 19.527 2.416 -3.573 1.00 0.00 C ATOM 26 C ARG A 3 20.157 2.642 -2.195 1.00 0.00 C ATOM 27 O ARG A 3 19.435 2.794 -1.221 1.00 0.00 O ATOM 28 CB ARG A 3 18.651 1.161 -3.621 1.00 0.00 C ATOM 29 CG ARG A 3 19.453 -0.119 -3.403 1.00 0.00 C ATOM 30 CD ARG A 3 19.039 -1.140 -4.451 1.00 0.00 C ATOM 31 NE ARG A 3 19.978 -1.195 -5.562 1.00 0.00 N ATOM 32 CZ ARG A 3 20.958 -2.093 -5.615 1.00 0.00 C ATOM 33 NH1 ARG A 3 22.113 -1.895 -4.986 1.00 0.00 N ATOM 34 NH2 ARG A 3 20.923 -2.984 -6.587 1.00 0.00 N ATOM 0 H ARG A 3 21.194 1.600 -4.595 1.00 0.00 H new ATOM 0 HA ARG A 3 18.911 3.303 -3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 3 17.875 1.234 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 3 18.147 1.110 -4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 3 20.521 0.087 -3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 3 19.273 -0.511 -2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 3 18.967 -2.125 -3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 3 18.047 -0.891 -4.827 1.00 0.00 H new ATOM 0 HE ARG A 3 19.881 -0.524 -6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 3 22.261 -1.041 -4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 3 22.850 -2.598 -5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 3 20.162 -2.969 -7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 3 21.657 -3.688 -6.660 1.00 0.00 H new ATOM 41 N MET A 4 21.492 2.561 -2.130 1.00 0.00 N ATOM 42 CA MET A 4 22.280 2.618 -0.873 1.00 0.00 C ATOM 43 C MET A 4 21.768 1.637 0.206 1.00 0.00 C ATOM 44 O MET A 4 21.847 1.900 1.413 1.00 0.00 O ATOM 45 CB MET A 4 22.331 4.050 -0.325 1.00 0.00 C ATOM 46 CG MET A 4 23.237 5.013 -1.099 1.00 0.00 C ATOM 47 SD MET A 4 22.794 5.282 -2.854 1.00 0.00 S ATOM 48 CE MET A 4 21.178 6.006 -2.704 1.00 0.00 C ATOM 0 H MET A 4 22.074 2.452 -2.960 1.00 0.00 H new ATOM 0 HA MET A 4 23.291 2.300 -1.128 1.00 0.00 H new ATOM 0 HB2 MET A 4 21.319 4.455 -0.318 1.00 0.00 H new ATOM 0 HB3 MET A 4 22.667 4.014 0.711 1.00 0.00 H new ATOM 0 HG2 MET A 4 23.231 5.977 -0.590 1.00 0.00 H new ATOM 0 HG3 MET A 4 24.259 4.636 -1.055 1.00 0.00 H new ATOM 0 HE1 MET A 4 20.428 5.298 -3.058 1.00 0.00 H new ATOM 0 HE2 MET A 4 20.984 6.249 -1.659 1.00 0.00 H new ATOM 0 HE3 MET A 4 21.130 6.915 -3.303 1.00 0.00 H new ATOM 50 N LYS A 5 21.126 0.567 -0.273 1.00 0.00 N ATOM 51 CA LYS A 5 20.448 -0.490 0.519 1.00 0.00 C ATOM 52 C LYS A 5 19.274 0.029 1.378 1.00 0.00 C ATOM 53 O LYS A 5 18.603 -0.747 2.057 1.00 0.00 O ATOM 54 CB LYS A 5 21.452 -1.285 1.378 1.00 0.00 C ATOM 55 CG LYS A 5 22.610 -1.869 0.544 1.00 0.00 C ATOM 56 CD LYS A 5 23.922 -1.121 0.778 1.00 0.00 C ATOM 57 CE LYS A 5 24.854 -1.929 1.680 1.00 0.00 C ATOM 58 NZ LYS A 5 26.174 -2.012 1.046 1.00 0.00 N ATOM 0 H LYS A 5 21.056 0.396 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 5 20.008 -1.164 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.858 -0.634 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 5 20.929 -2.096 1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 5 22.743 -2.921 0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.352 -1.825 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 5 24.411 -0.927 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 5 23.717 -0.152 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 5 24.935 -1.456 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 5 24.450 -2.928 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 26.817 -2.561 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 26.086 -2.480 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 26.556 -1.054 0.914 1.00 0.00 H new ATOM 63 N GLN A 6 18.866 1.265 1.108 1.00 0.00 N ATOM 64 CA GLN A 6 17.812 2.000 1.855 1.00 0.00 C ATOM 65 C GLN A 6 16.623 2.423 0.980 1.00 0.00 C ATOM 66 O GLN A 6 15.487 2.062 1.269 1.00 0.00 O ATOM 67 CB GLN A 6 18.434 3.192 2.605 1.00 0.00 C ATOM 68 CG GLN A 6 19.229 4.138 1.695 1.00 0.00 C ATOM 69 CD GLN A 6 19.951 5.253 2.449 1.00 0.00 C ATOM 70 OE1 GLN A 6 19.399 6.301 2.721 1.00 0.00 O ATOM 71 NE2 GLN A 6 21.220 5.064 2.718 1.00 0.00 N ATOM 0 H GLN A 6 19.262 1.812 0.344 1.00 0.00 H new ATOM 0 HA GLN A 6 17.390 1.308 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.641 3.755 3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 6 19.092 2.815 3.388 1.00 0.00 H new ATOM 0 HG2 GLN A 6 19.961 3.558 1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.550 4.584 0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 6 21.665 4.177 2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.763 5.804 3.164 1.00 0.00 H new ATOM 75 N LEU A 7 16.908 2.986 -0.204 1.00 0.00 N ATOM 76 CA LEU A 7 15.867 3.273 -1.222 1.00 0.00 C ATOM 77 C LEU A 7 15.173 1.971 -1.691 1.00 0.00 C ATOM 78 O LEU A 7 13.963 1.954 -1.854 1.00 0.00 O ATOM 79 CB LEU A 7 16.380 4.082 -2.409 1.00 0.00 C ATOM 80 CG LEU A 7 17.168 5.345 -2.044 1.00 0.00 C ATOM 81 CD1 LEU A 7 17.581 6.065 -3.329 1.00 0.00 C ATOM 82 CD2 LEU A 7 16.413 6.320 -1.129 1.00 0.00 C ATOM 0 H LEU A 7 17.850 3.255 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 7 15.129 3.904 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 7 17.015 3.440 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.530 4.369 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 7 18.036 5.013 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.142 6.965 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.205 5.405 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.691 6.339 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.043 7.185 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.498 6.648 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.162 5.820 -0.193 1.00 0.00 H new ATOM 84 N GLU A 8 15.907 0.853 -1.622 1.00 0.00 N ATOM 85 CA GLU A 8 15.335 -0.503 -1.848 1.00 0.00 C ATOM 86 C GLU A 8 14.367 -0.897 -0.712 1.00 0.00 C ATOM 87 O GLU A 8 13.247 -1.289 -0.991 1.00 0.00 O ATOM 88 CB GLU A 8 16.418 -1.573 -2.004 1.00 0.00 C ATOM 89 CG GLU A 8 15.829 -2.940 -2.372 1.00 0.00 C ATOM 90 CD GLU A 8 16.758 -3.802 -3.228 1.00 0.00 C ATOM 91 OE1 GLU A 8 16.967 -3.561 -4.413 1.00 0.00 O ATOM 92 OE2 GLU A 8 17.279 -4.898 -2.657 1.00 0.00 O ATOM 0 H GLU A 8 16.905 0.850 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 8 14.781 -0.451 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.124 -1.264 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.979 -1.659 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.589 -3.480 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.892 -2.789 -2.908 1.00 0.00 H new ATOM 95 N ASP A 9 14.796 -0.668 0.525 1.00 0.00 N ATOM 96 CA ASP A 9 13.975 -0.972 1.726 1.00 0.00 C ATOM 97 C ASP A 9 12.666 -0.162 1.746 1.00 0.00 C ATOM 98 O ASP A 9 11.604 -0.709 2.020 1.00 0.00 O ATOM 99 CB ASP A 9 14.787 -0.750 3.004 1.00 0.00 C ATOM 100 CG ASP A 9 15.359 -2.074 3.535 1.00 0.00 C ATOM 101 OD1 ASP A 9 14.723 -2.809 4.286 1.00 0.00 O ATOM 102 OD2 ASP A 9 16.591 -2.420 3.135 1.00 0.00 O ATOM 0 H ASP A 9 15.711 -0.271 0.738 1.00 0.00 H new ATOM 0 HA ASP A 9 13.695 -2.024 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.601 -0.053 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.155 -0.293 3.765 1.00 0.00 H new ATOM 105 N LYS A 10 12.750 1.080 1.271 1.00 0.00 N ATOM 106 CA LYS A 10 11.540 1.931 1.132 1.00 0.00 C ATOM 107 C LYS A 10 10.644 1.549 -0.068 1.00 0.00 C ATOM 108 O LYS A 10 9.438 1.738 -0.008 1.00 0.00 O ATOM 109 CB LYS A 10 11.837 3.427 1.246 1.00 0.00 C ATOM 110 CG LYS A 10 12.518 4.157 0.080 1.00 0.00 C ATOM 111 CD LYS A 10 11.593 4.376 -1.128 1.00 0.00 C ATOM 112 CE LYS A 10 11.751 5.744 -1.775 1.00 0.00 C ATOM 113 NZ LYS A 10 11.218 6.761 -0.851 1.00 0.00 N ATOM 0 H LYS A 10 13.620 1.525 0.977 1.00 0.00 H new ATOM 0 HA LYS A 10 10.926 1.704 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.891 3.933 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.461 3.569 2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.882 5.123 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.389 3.584 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 10 11.793 3.606 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.558 4.251 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.801 5.942 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.217 5.778 -2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.970 7.619 -1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.370 6.390 -0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.938 6.993 -0.138 1.00 0.00 H new ATOM 118 N VAL A 11 11.250 0.993 -1.123 1.00 0.00 N ATOM 119 CA VAL A 11 10.507 0.534 -2.327 1.00 0.00 C ATOM 120 C VAL A 11 9.434 -0.517 -1.959 1.00 0.00 C ATOM 121 O VAL A 11 8.278 -0.365 -2.316 1.00 0.00 O ATOM 122 CB VAL A 11 11.496 0.062 -3.426 1.00 0.00 C ATOM 123 CG1 VAL A 11 10.881 -0.838 -4.507 1.00 0.00 C ATOM 124 CG2 VAL A 11 12.075 1.289 -4.137 1.00 0.00 C ATOM 0 H VAL A 11 12.258 0.845 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 11 9.956 1.374 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 11 12.247 -0.529 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.649 -1.116 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.476 -1.738 -4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.081 -0.300 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.771 0.966 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.266 1.861 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.600 1.914 -3.415 1.00 0.00 H new ATOM 126 N GLU A 12 9.814 -1.488 -1.125 1.00 0.00 N ATOM 127 CA GLU A 12 8.850 -2.510 -0.649 1.00 0.00 C ATOM 128 C GLU A 12 7.795 -1.913 0.307 1.00 0.00 C ATOM 129 O GLU A 12 6.622 -2.249 0.206 1.00 0.00 O ATOM 130 CB GLU A 12 9.499 -3.716 0.020 1.00 0.00 C ATOM 131 CG GLU A 12 10.515 -4.454 -0.861 1.00 0.00 C ATOM 132 CD GLU A 12 11.941 -3.980 -0.603 1.00 0.00 C ATOM 133 OE1 GLU A 12 12.292 -3.408 0.427 1.00 0.00 O ATOM 134 OE2 GLU A 12 12.858 -4.234 -1.559 1.00 0.00 O ATOM 0 H GLU A 12 10.762 -1.597 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 12 8.365 -2.861 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.997 -3.387 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.718 -4.416 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.449 -5.525 -0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.265 -4.299 -1.911 1.00 0.00 H new ATOM 137 N GLU A 13 8.223 -0.917 1.090 1.00 0.00 N ATOM 138 CA GLU A 13 7.338 -0.161 2.001 1.00 0.00 C ATOM 139 C GLU A 13 6.198 0.548 1.239 1.00 0.00 C ATOM 140 O GLU A 13 5.102 0.688 1.776 1.00 0.00 O ATOM 141 CB GLU A 13 8.151 0.862 2.795 1.00 0.00 C ATOM 142 CG GLU A 13 7.467 1.202 4.128 1.00 0.00 C ATOM 143 CD GLU A 13 8.086 2.424 4.811 1.00 0.00 C ATOM 144 OE1 GLU A 13 9.290 2.567 5.016 1.00 0.00 O ATOM 145 OE2 GLU A 13 7.204 3.367 5.211 1.00 0.00 O ATOM 0 H GLU A 13 9.194 -0.607 1.114 1.00 0.00 H new ATOM 0 HA GLU A 13 6.883 -0.877 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.149 0.468 2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.274 1.770 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.407 1.386 3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.534 0.344 4.796 1.00 0.00 H new ATOM 148 N LEU A 14 6.422 0.823 -0.050 1.00 0.00 N ATOM 149 CA LEU A 14 5.386 1.386 -0.949 1.00 0.00 C ATOM 150 C LEU A 14 4.253 0.372 -1.117 1.00 0.00 C ATOM 151 O LEU A 14 3.213 0.595 -0.530 1.00 0.00 O ATOM 152 CB LEU A 14 5.908 1.805 -2.323 1.00 0.00 C ATOM 153 CG LEU A 14 7.116 2.760 -2.284 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.467 3.135 -3.721 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.886 4.016 -1.436 1.00 0.00 C ATOM 0 H LEU A 14 7.320 0.666 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 14 5.030 2.299 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.186 0.910 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.099 2.285 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 14 7.941 2.238 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.321 3.812 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.717 2.234 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.613 3.627 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.781 4.638 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.043 4.578 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.670 3.726 -0.408 1.00 0.00 H new ATOM 157 N LEU A 15 4.538 -0.780 -1.716 1.00 0.00 N ATOM 158 CA LEU A 15 3.521 -1.843 -1.942 1.00 0.00 C ATOM 159 C LEU A 15 2.843 -2.269 -0.623 1.00 0.00 C ATOM 160 O LEU A 15 1.633 -2.119 -0.524 1.00 0.00 O ATOM 161 CB LEU A 15 4.102 -3.088 -2.616 1.00 0.00 C ATOM 162 CG LEU A 15 5.095 -2.803 -3.758 1.00 0.00 C ATOM 163 CD1 LEU A 15 5.493 -4.122 -4.399 1.00 0.00 C ATOM 164 CD2 LEU A 15 4.560 -1.844 -4.827 1.00 0.00 C ATOM 0 H LEU A 15 5.468 -1.018 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 15 2.784 -1.399 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.604 -3.692 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.281 -3.687 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 15 5.955 -2.301 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.197 -3.935 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.962 -4.762 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.606 -4.616 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.319 -1.695 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.664 -2.267 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.316 -0.886 -4.367 1.00 0.00 H new ATOM 166 N SER A 16 3.636 -2.461 0.428 1.00 0.00 N ATOM 167 CA SER A 16 3.136 -2.766 1.789 1.00 0.00 C ATOM 168 C SER A 16 2.020 -1.815 2.289 1.00 0.00 C ATOM 169 O SER A 16 1.098 -2.242 2.975 1.00 0.00 O ATOM 170 CB SER A 16 4.323 -2.735 2.758 1.00 0.00 C ATOM 171 OG SER A 16 4.055 -3.563 3.889 1.00 0.00 O ATOM 0 H SER A 16 4.653 -2.411 0.371 1.00 0.00 H new ATOM 0 HA SER A 16 2.676 -3.753 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.225 -3.079 2.252 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.510 -1.712 3.083 1.00 0.00 H new ATOM 0 HG SER A 16 4.820 -3.538 4.501 1.00 0.00 H new ATOM 174 N LYS A 17 2.065 -0.576 1.802 1.00 0.00 N ATOM 175 CA LYS A 17 1.052 0.484 2.017 1.00 0.00 C ATOM 176 C LYS A 17 0.092 0.682 0.813 1.00 0.00 C ATOM 177 O LYS A 17 -1.102 0.563 0.968 1.00 0.00 O ATOM 178 CB LYS A 17 1.777 1.789 2.372 1.00 0.00 C ATOM 179 CG LYS A 17 2.405 1.730 3.772 1.00 0.00 C ATOM 180 CD LYS A 17 1.356 2.007 4.850 1.00 0.00 C ATOM 181 CE LYS A 17 1.616 1.279 6.171 1.00 0.00 C ATOM 182 NZ LYS A 17 2.801 1.752 6.892 1.00 0.00 N ATOM 0 H LYS A 17 2.839 -0.258 1.219 1.00 0.00 H new ATOM 0 HA LYS A 17 0.410 0.170 2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.554 1.986 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.074 2.620 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.850 0.748 3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.210 2.461 3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.318 3.080 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.376 1.715 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.743 1.393 6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.727 0.213 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.909 1.212 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.645 1.619 6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.691 2.762 7.116 1.00 0.00 H new ATOM 187 N ASN A 18 0.618 0.884 -0.395 1.00 0.00 N ATOM 188 CA ASN A 18 -0.123 1.090 -1.661 1.00 0.00 C ATOM 189 C ASN A 18 -1.060 -0.097 -2.043 1.00 0.00 C ATOM 190 O ASN A 18 -2.254 0.099 -2.268 1.00 0.00 O ATOM 191 CB ASN A 18 0.875 1.366 -2.784 1.00 0.00 C ATOM 192 CG ASN A 18 0.208 1.997 -4.005 1.00 0.00 C ATOM 193 OD1 ASN A 18 -0.284 1.336 -4.907 1.00 0.00 O ATOM 194 ND2 ASN A 18 0.171 3.312 -4.033 1.00 0.00 N ATOM 0 H ASN A 18 1.628 0.912 -0.535 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.781 1.946 -1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.659 2.029 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.357 0.433 -3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.273 3.793 -4.815 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.586 3.850 -3.272 1.00 0.00 H new ATOM 198 N TYR A 19 -0.521 -1.307 -1.953 1.00 0.00 N ATOM 199 CA TYR A 19 -1.256 -2.570 -2.158 1.00 0.00 C ATOM 200 C TYR A 19 -2.347 -2.766 -1.070 1.00 0.00 C ATOM 201 O TYR A 19 -3.423 -3.271 -1.352 1.00 0.00 O ATOM 202 CB TYR A 19 -0.263 -3.735 -2.087 1.00 0.00 C ATOM 203 CG TYR A 19 -0.462 -4.887 -3.079 1.00 0.00 C ATOM 204 CD1 TYR A 19 -1.749 -5.216 -3.564 1.00 0.00 C ATOM 205 CD2 TYR A 19 0.688 -5.623 -3.455 1.00 0.00 C ATOM 206 CE1 TYR A 19 -1.885 -6.303 -4.445 1.00 0.00 C ATOM 207 CE2 TYR A 19 0.542 -6.708 -4.338 1.00 0.00 C ATOM 208 CZ TYR A 19 -0.745 -7.037 -4.822 1.00 0.00 C ATOM 209 OH TYR A 19 -0.884 -8.064 -5.690 1.00 0.00 O ATOM 0 H TYR A 19 0.464 -1.451 -1.730 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.744 -2.536 -3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.740 -3.333 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.298 -4.148 -1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.613 -4.642 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 19 1.661 -5.356 -3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.857 -6.573 -4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.404 -7.283 -4.643 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.009 -8.474 -5.855 1.00 0.00 H new ATOM 212 N HIS A 20 -2.060 -2.263 0.125 1.00 0.00 N ATOM 213 CA HIS A 20 -2.993 -2.195 1.277 1.00 0.00 C ATOM 214 C HIS A 20 -4.041 -1.059 1.135 1.00 0.00 C ATOM 215 O HIS A 20 -5.161 -1.162 1.629 1.00 0.00 O ATOM 216 CB HIS A 20 -2.092 -2.095 2.515 1.00 0.00 C ATOM 217 CG HIS A 20 -2.681 -1.466 3.772 1.00 0.00 C ATOM 218 ND1 HIS A 20 -3.189 -2.094 4.825 1.00 0.00 N ATOM 219 CD2 HIS A 20 -2.833 -0.155 3.970 1.00 0.00 C ATOM 220 CE1 HIS A 20 -3.692 -1.181 5.657 1.00 0.00 C ATOM 221 NE2 HIS A 20 -3.471 0.011 5.118 1.00 0.00 N ATOM 0 H HIS A 20 -1.142 -1.874 0.341 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.628 -3.078 1.349 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.758 -3.101 2.769 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.205 -1.525 2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.495 0.631 3.311 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.188 -1.376 6.596 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.747 0.906 5.521 1.00 0.00 H new ATOM 225 N LEU A 21 -3.702 -0.028 0.368 1.00 0.00 N ATOM 226 CA LEU A 21 -4.522 1.178 0.124 1.00 0.00 C ATOM 227 C LEU A 21 -5.714 0.872 -0.796 1.00 0.00 C ATOM 228 O LEU A 21 -6.840 1.260 -0.485 1.00 0.00 O ATOM 229 CB LEU A 21 -3.616 2.279 -0.467 1.00 0.00 C ATOM 230 CG LEU A 21 -4.363 3.419 -1.167 1.00 0.00 C ATOM 231 CD1 LEU A 21 -5.078 4.348 -0.183 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.420 4.179 -2.108 1.00 0.00 C ATOM 0 H LEU A 21 -2.811 0.002 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.944 1.526 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.009 2.700 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.930 1.821 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.153 2.973 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.590 5.137 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.806 3.777 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.348 4.793 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.966 4.985 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.593 4.597 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.030 3.495 -2.862 1.00 0.00 H new ATOM 234 N GLU A 22 -5.451 0.193 -1.902 1.00 0.00 N ATOM 235 CA GLU A 22 -6.514 -0.259 -2.818 1.00 0.00 C ATOM 236 C GLU A 22 -7.561 -1.125 -2.084 1.00 0.00 C ATOM 237 O GLU A 22 -8.762 -0.973 -2.307 1.00 0.00 O ATOM 238 CB GLU A 22 -5.897 -1.003 -3.995 1.00 0.00 C ATOM 239 CG GLU A 22 -6.853 -1.024 -5.201 1.00 0.00 C ATOM 240 CD GLU A 22 -7.166 -2.431 -5.706 1.00 0.00 C ATOM 241 OE1 GLU A 22 -6.406 -3.384 -5.571 1.00 0.00 O ATOM 242 OE2 GLU A 22 -8.345 -2.593 -6.337 1.00 0.00 O ATOM 0 H GLU A 22 -4.509 -0.063 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.042 0.615 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.959 -0.526 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.658 -2.024 -3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.785 -0.530 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.414 -0.444 -6.013 1.00 0.00 H new ATOM 245 N ASN A 23 -7.099 -1.836 -1.061 1.00 0.00 N ATOM 246 CA ASN A 23 -7.966 -2.624 -0.170 1.00 0.00 C ATOM 247 C ASN A 23 -8.913 -1.723 0.653 1.00 0.00 C ATOM 248 O ASN A 23 -10.114 -1.995 0.708 1.00 0.00 O ATOM 249 CB ASN A 23 -7.112 -3.494 0.763 1.00 0.00 C ATOM 250 CG ASN A 23 -7.800 -4.799 1.156 1.00 0.00 C ATOM 251 OD1 ASN A 23 -7.201 -5.728 1.684 1.00 0.00 O ATOM 252 ND2 ASN A 23 -9.108 -4.899 0.998 1.00 0.00 N ATOM 0 H ASN A 23 -6.109 -1.887 -0.819 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.586 -3.267 -0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.165 -3.722 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.876 -2.928 1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.597 -5.737 1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.629 -4.138 0.561 1.00 0.00 H new ATOM 256 N GLU A 24 -8.370 -0.608 1.149 1.00 0.00 N ATOM 257 CA GLU A 24 -9.142 0.448 1.837 1.00 0.00 C ATOM 258 C GLU A 24 -10.206 1.098 0.946 1.00 0.00 C ATOM 259 O GLU A 24 -11.384 1.004 1.261 1.00 0.00 O ATOM 260 CB GLU A 24 -8.227 1.511 2.451 1.00 0.00 C ATOM 261 CG GLU A 24 -7.707 1.097 3.828 1.00 0.00 C ATOM 262 CD GLU A 24 -8.364 1.937 4.924 1.00 0.00 C ATOM 263 OE1 GLU A 24 -7.983 3.069 5.194 1.00 0.00 O ATOM 264 OE2 GLU A 24 -9.415 1.391 5.581 1.00 0.00 O ATOM 0 H GLU A 24 -7.372 -0.404 1.087 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.674 -0.057 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.383 1.691 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.772 2.451 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.914 0.040 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.625 1.221 3.867 1.00 0.00 H new ATOM 267 N VAL A 25 -9.793 1.571 -0.232 1.00 0.00 N ATOM 268 CA VAL A 25 -10.702 2.114 -1.285 1.00 0.00 C ATOM 269 C VAL A 25 -11.928 1.197 -1.525 1.00 0.00 C ATOM 270 O VAL A 25 -13.042 1.698 -1.565 1.00 0.00 O ATOM 271 CB VAL A 25 -9.927 2.410 -2.579 1.00 0.00 C ATOM 272 CG1 VAL A 25 -10.813 3.044 -3.666 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.737 3.352 -2.338 1.00 0.00 C ATOM 0 H VAL A 25 -8.809 1.595 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.102 3.061 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.570 1.438 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.216 3.232 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.629 2.365 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.223 3.985 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.219 3.533 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.098 4.298 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.049 2.894 -1.628 1.00 0.00 H new ATOM 275 N ALA A 26 -11.709 -0.113 -1.470 1.00 0.00 N ATOM 276 CA ALA A 26 -12.790 -1.124 -1.579 1.00 0.00 C ATOM 277 C ALA A 26 -13.751 -1.090 -0.370 1.00 0.00 C ATOM 278 O ALA A 26 -14.901 -0.695 -0.532 1.00 0.00 O ATOM 279 CB ALA A 26 -12.174 -2.513 -1.791 1.00 0.00 C ATOM 0 H ALA A 26 -10.781 -0.518 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.403 -0.880 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.968 -3.255 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.584 -2.513 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.532 -2.759 -0.946 1.00 0.00 H new ATOM 281 N ARG A 27 -13.253 -1.401 0.833 1.00 0.00 N ATOM 282 CA ARG A 27 -14.047 -1.304 2.089 1.00 0.00 C ATOM 283 C ARG A 27 -14.712 0.068 2.326 1.00 0.00 C ATOM 284 O ARG A 27 -15.790 0.160 2.892 1.00 0.00 O ATOM 285 CB ARG A 27 -13.263 -1.760 3.338 1.00 0.00 C ATOM 286 CG ARG A 27 -12.015 -0.934 3.656 1.00 0.00 C ATOM 287 CD ARG A 27 -11.270 -1.346 4.936 1.00 0.00 C ATOM 288 NE ARG A 27 -10.958 -2.785 4.869 1.00 0.00 N ATOM 289 CZ ARG A 27 -9.816 -3.364 4.514 1.00 0.00 C ATOM 290 NH1 ARG A 27 -8.629 -2.764 4.564 1.00 0.00 N ATOM 291 NH2 ARG A 27 -9.919 -4.361 3.647 1.00 0.00 N ATOM 0 H ARG A 27 -12.297 -1.726 0.975 1.00 0.00 H new ATOM 0 HA ARG A 27 -14.862 -2.010 1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -13.931 -1.728 4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.967 -2.800 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.326 -1.006 2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.304 0.113 3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -10.353 -0.767 5.040 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -11.882 -1.134 5.812 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.715 -3.417 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.558 -1.800 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.790 -3.268 4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.835 -4.639 3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.082 -4.851 3.331 1.00 0.00 H new ATOM 298 N LEU A 28 -14.041 1.100 1.834 1.00 0.00 N ATOM 299 CA LEU A 28 -14.514 2.505 1.788 1.00 0.00 C ATOM 300 C LEU A 28 -15.695 2.686 0.811 1.00 0.00 C ATOM 301 O LEU A 28 -16.743 3.186 1.202 1.00 0.00 O ATOM 302 CB LEU A 28 -13.299 3.382 1.438 1.00 0.00 C ATOM 303 CG LEU A 28 -13.624 4.755 0.847 1.00 0.00 C ATOM 304 CD1 LEU A 28 -14.218 5.683 1.907 1.00 0.00 C ATOM 305 CD2 LEU A 28 -12.374 5.381 0.241 1.00 0.00 C ATOM 0 H LEU A 28 -13.109 0.992 1.435 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.914 2.808 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.705 3.526 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.674 2.840 0.729 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.367 4.616 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.439 6.652 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.136 5.246 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.502 5.813 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.621 6.357 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.614 5.498 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.991 4.736 -0.550 1.00 0.00 H new ATOM 307 N LYS A 29 -15.508 2.292 -0.450 1.00 0.00 N ATOM 308 CA LYS A 29 -16.567 2.423 -1.461 1.00 0.00 C ATOM 309 C LYS A 29 -17.825 1.581 -1.130 1.00 0.00 C ATOM 310 O LYS A 29 -18.944 2.008 -1.370 1.00 0.00 O ATOM 311 CB LYS A 29 -15.970 2.084 -2.827 1.00 0.00 C ATOM 312 CG LYS A 29 -16.657 2.905 -3.928 1.00 0.00 C ATOM 313 CD LYS A 29 -15.617 3.455 -4.911 1.00 0.00 C ATOM 314 CE LYS A 29 -16.295 4.298 -5.988 1.00 0.00 C ATOM 315 NZ LYS A 29 -15.276 4.924 -6.843 1.00 0.00 N ATOM 0 H LYS A 29 -14.641 1.882 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.927 3.452 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.900 2.290 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.089 1.020 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -17.376 2.282 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.216 3.728 -3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.885 4.059 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.074 2.631 -5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.955 3.674 -6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.916 5.065 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.742 5.497 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.663 5.533 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.701 4.185 -7.296 1.00 0.00 H new ATOM 320 N LYS A 30 -17.595 0.531 -0.335 1.00 0.00 N ATOM 321 CA LYS A 30 -18.631 -0.299 0.317 1.00 0.00 C ATOM 322 C LYS A 30 -19.540 0.499 1.285 1.00 0.00 C ATOM 323 O LYS A 30 -20.731 0.224 1.396 1.00 0.00 O ATOM 324 CB LYS A 30 -17.847 -1.448 0.978 1.00 0.00 C ATOM 325 CG LYS A 30 -18.397 -2.028 2.298 1.00 0.00 C ATOM 326 CD LYS A 30 -17.345 -2.982 2.866 1.00 0.00 C ATOM 327 CE LYS A 30 -17.756 -3.549 4.227 1.00 0.00 C ATOM 328 NZ LYS A 30 -16.662 -4.371 4.740 1.00 0.00 N ATOM 0 H LYS A 30 -16.649 0.219 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.358 -0.684 -0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.776 -2.263 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.832 -1.098 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -18.609 -1.228 3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.335 -2.555 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.184 -3.802 2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.395 -2.456 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.979 -2.740 4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.663 -4.145 4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.927 -4.764 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.471 -5.148 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.808 -3.787 4.844 1.00 0.00 H new ATOM 333 N LEU A 31 -18.984 1.557 1.882 1.00 0.00 N ATOM 334 CA LEU A 31 -19.736 2.440 2.803 1.00 0.00 C ATOM 335 C LEU A 31 -20.817 3.261 2.048 1.00 0.00 C ATOM 336 O LEU A 31 -21.927 3.398 2.547 1.00 0.00 O ATOM 337 CB LEU A 31 -18.798 3.386 3.574 1.00 0.00 C ATOM 338 CG LEU A 31 -17.655 2.643 4.289 1.00 0.00 C ATOM 339 CD1 LEU A 31 -16.697 3.667 4.908 1.00 0.00 C ATOM 340 CD2 LEU A 31 -18.135 1.656 5.352 1.00 0.00 C ATOM 0 H LEU A 31 -18.011 1.831 1.748 1.00 0.00 H new ATOM 0 HA LEU A 31 -20.235 1.791 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -18.375 4.114 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -19.377 3.945 4.309 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.143 2.044 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.886 3.146 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -16.286 4.301 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -17.238 4.283 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.275 1.171 5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -18.702 2.190 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -18.771 0.902 4.888 1.00 0.00 H new ATOM 342 N VAL A 32 -20.556 3.526 0.775 1.00 0.00 N ATOM 343 CA VAL A 32 -21.507 4.195 -0.157 1.00 0.00 C ATOM 344 C VAL A 32 -22.427 3.135 -0.848 1.00 0.00 C ATOM 345 O VAL A 32 -23.207 3.452 -1.742 1.00 0.00 O ATOM 346 CB VAL A 32 -20.719 5.085 -1.137 1.00 0.00 C ATOM 347 CG1 VAL A 32 -21.610 5.916 -2.074 1.00 0.00 C ATOM 348 CG2 VAL A 32 -19.806 6.084 -0.406 1.00 0.00 C ATOM 0 H VAL A 32 -19.667 3.285 0.336 1.00 0.00 H new ATOM 0 HA VAL A 32 -22.183 4.855 0.387 1.00 0.00 H new ATOM 0 HB VAL A 32 -20.139 4.371 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -20.984 6.516 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -22.232 5.249 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -22.248 6.573 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -19.271 6.690 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -20.410 6.732 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -19.089 5.539 0.209 1.00 0.00 H new ATOM 350 N GLY A 33 -22.438 1.934 -0.281 1.00 0.00 N ATOM 351 CA GLY A 33 -23.263 0.788 -0.728 1.00 0.00 C ATOM 352 C GLY A 33 -24.504 0.593 0.165 1.00 0.00 C ATOM 353 O GLY A 33 -25.625 0.562 -0.328 1.00 0.00 O ATOM 0 H GLY A 33 -21.859 1.711 0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.579 0.948 -1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.660 -0.120 -0.716 1.00 0.00 H new ATOM 355 N GLU A 34 -24.283 0.653 1.478 1.00 0.00 N ATOM 356 CA GLU A 34 -25.350 0.527 2.501 1.00 0.00 C ATOM 357 C GLU A 34 -26.070 1.853 2.827 1.00 0.00 C ATOM 358 O GLU A 34 -26.721 1.994 3.859 1.00 0.00 O ATOM 359 CB GLU A 34 -24.756 -0.126 3.761 1.00 0.00 C ATOM 360 CG GLU A 34 -23.640 0.706 4.406 1.00 0.00 C ATOM 361 CD GLU A 34 -22.891 -0.053 5.505 1.00 0.00 C ATOM 362 OE1 GLU A 34 -22.397 0.501 6.473 1.00 0.00 O ATOM 363 OE2 GLU A 34 -22.736 -1.386 5.331 1.00 0.00 O ATOM 0 H GLU A 34 -23.354 0.791 1.877 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.132 -0.108 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -25.551 -0.282 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.363 -1.109 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -22.932 1.014 3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -24.069 1.616 4.827 1.00 0.00 H new ATOM 366 N ARG A 35 -25.960 2.796 1.884 1.00 0.00 N ATOM 367 CA ARG A 35 -26.581 4.134 2.017 1.00 0.00 C ATOM 368 C ARG A 35 -27.087 4.632 0.645 1.00 0.00 C ATOM 369 O ARG A 35 -26.331 5.351 -0.047 1.00 0.00 O ATOM 370 CB ARG A 35 -25.565 5.098 2.658 1.00 0.00 C ATOM 371 CG ARG A 35 -26.189 6.197 3.538 1.00 0.00 C ATOM 372 CD ARG A 35 -27.140 7.155 2.820 1.00 0.00 C ATOM 373 NE ARG A 35 -28.543 6.691 2.951 1.00 0.00 N ATOM 374 CZ ARG A 35 -29.541 6.939 2.107 1.00 0.00 C ATOM 375 NH1 ARG A 35 -29.345 7.028 0.798 1.00 0.00 N ATOM 376 NH2 ARG A 35 -30.786 6.710 2.492 1.00 0.00 N ATOM 377 OXT ARG A 35 -28.197 4.193 0.271 1.00 0.00 O ATOM 0 H ARG A 35 -25.445 2.663 1.013 1.00 0.00 H new ATOM 0 HA ARG A 35 -27.453 4.082 2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -24.867 4.519 3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -24.984 5.571 1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -26.730 5.720 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -25.384 6.780 3.986 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -27.041 8.156 3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -26.870 7.223 1.766 1.00 0.00 H new ATOM 0 HE ARG A 35 -28.765 6.125 3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -28.408 6.905 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -30.131 7.219 0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -30.972 6.347 3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -31.560 6.896 1.854 1.00 0.00 H new TER 384 ARG A 35